1-[4-bromo-2-(trifluoromethoxy)phenyl]-2,5-dimethylpyrrole

C13H11BrF3NO — CID 103193574

IUPAC1-[4-bromo-2-(trifluoromethoxy)phenyl]-2,5-dimethylpyrrole
SMILESCc1ccc(C)n1-c1ccc(Br)cc1OC(F)(F)F
InChIInChI=1S/C13H11BrF3NO/c1-8-3-4-9(2)18(8)11-6-5-10(14)7-12(11)19-13(15,16)17/h3-7H,1-2H3
InChIKeyCUDLILBYDPEZGT-UHFFFAOYSA-N
MW334.14 g/mol
LogP4.76
Rot. Bonds2

About 1-[4-bromo-2-(trifluoromethoxy)phenyl]-2,5-dimethylpyrrole

1-[4-bromo-2-(trifluoromethoxy)phenyl]-2,5-dimethylpyrrole (PubChem CID 103193574) has the molecular formula C13H11BrF3NO and a molecular weight of 334.14 g/mol. Its IUPAC name is 1-[4-bromo-2-(trifluoromethoxy)phenyl]-2,5-dimethylpyrrole.

Molecular Properties

Compound Name1-[4-bromo-2-(trifluoromethoxy)phenyl]-2,5-dimethylpyrrole
PubChem CID103193574
Molecular FormulaC13H11BrF3NO
Molecular Weight334.14 g/mol
Exact Mass333.00
IUPAC Name1-[4-bromo-2-(trifluoromethoxy)phenyl]-2,5-dimethylpyrrole
SMILESCc1ccc(C)n1-c1ccc(Br)cc1OC(F)(F)F
InChIInChI=1S/C13H11BrF3NO/c1-8-3-4-9(2)18(8)11-6-5-10(14)7-12(11)19-13(15,16)17/h3-7H,1-2H3
InChIKeyCUDLILBYDPEZGT-UHFFFAOYSA-N
XLogP4.76
TPSA14.16 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.14
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'pyrrole_A(118)', 'substructure': 'N/A'}

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Related Compounds

4-bromo-1-methyl-2-(trifluoromethoxy)benzene;ethane
CID 143646711
5-bromo-2-(trifluoromethoxy)aniline
CID 2779367
8-[4-bromo-2-(trifluoromethoxy)phenyl]-8-azabicyclo[3.2.1]octan-3-one
CID 103193617
S-[1-[4-bromo-2-(trifluoromethoxy)phenyl]-5-oxopyrrolidin-3-yl] ethanethioate
CID 168706730
1-[1-[4-bromo-2-(trifluoromethoxy)phenyl]tetrazol-5-yl]-N-methylmethanamine
CID 103193619
1-[4-bromo-2-(trifluoromethoxy)phenyl]-2-propan-2-ylpiperazine
CID 103193692
(NE)-N-[[5-bromo-2-(trifluoromethoxy)phenyl]methylidene]hydroxylamine
CID 90156005
1-[4-bromo-2-(trifluoromethoxy)phenyl]piperidin-2-imine
CID 103193483
4-bromo-2-(chloromethyl)-1-(trifluoromethoxy)benzene
CID 72699152
5-bromo-2-(2,5-dimethylpyrrol-1-yl)benzonitrile
CID 82708807
[5-bromo-2-(trifluoromethoxy)phenyl] thiohypochlorite
CID 168963453
2-[5-bromo-2-(trifluoromethoxy)phenyl]isoindole-1,3-dione
CID 168519858

Frequently Asked Questions

What is the IUPAC name of 1-[4-bromo-2-(trifluoromethoxy)phenyl]-2,5-dimethylpyrrole?
The IUPAC name of 1-[4-bromo-2-(trifluoromethoxy)phenyl]-2,5-dimethylpyrrole (CID 103193574) is 1-[4-bromo-2-(trifluoromethoxy)phenyl]-2,5-dimethylpyrrole.
What is the SMILES notation for 1-[4-bromo-2-(trifluoromethoxy)phenyl]-2,5-dimethylpyrrole?
The canonical SMILES for 1-[4-bromo-2-(trifluoromethoxy)phenyl]-2,5-dimethylpyrrole is Cc1ccc(C)n1-c1ccc(Br)cc1OC(F)(F)F.
What is the InChIKey of 1-[4-bromo-2-(trifluoromethoxy)phenyl]-2,5-dimethylpyrrole?
The InChIKey is CUDLILBYDPEZGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrF3NO/c1-8-3-4-9(2)18(8)11-6-5-10(14)7-12(11)19-13(15,16)17/h3-7H,1-2H3.
What are the key properties of 1-[4-bromo-2-(trifluoromethoxy)phenyl]-2,5-dimethylpyrrole?
1-[4-bromo-2-(trifluoromethoxy)phenyl]-2,5-dimethylpyrrole has a molecular weight of 334.14 g/mol, XLogP of 4.76, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-bromo-2-(trifluoromethoxy)phenyl]-2,5-dimethylpyrrole is sourced from PubChem (CID 103193574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).